2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxy-1-naphthalenyl)methyl)-1H-imidazol-5-yl)methylene)-, (E)-

Base Information

• Chemical Name: 2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxy-1-naphthalenyl)methyl)-1H-imidazol-5-yl)methylene)-, (E)-
• CAS No.: 144143-97-5
• Molecular Formula: C27H26 N2 O4 S
• UNII: A9T9WVAH03
• Nikkaji Number: J690.022D
• Pharos Ligand ID: MMZKB33PNYFP
• ChEMBL ID: CHEMBL97533
• Mol file: 144143-97-5.mol

Synonyms:alpha-((2-butyl-1-((4-carboxy-1-naphthalenyl)methyl)-1H-imidazol-5-yl)-methylene)-2-thiophene-propanoic acid;SB 203220;SB-203220

Chemical Property of 2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxy-1-naphthalenyl)methyl)-1H-imidazol-5-yl)methylene)-, (E)-

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 474.16132849
• Heavy Atom Count: 34
• Complexity: 744

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=NC=C(N1CC2=CC=C(C3=CC=CC=C23)C(=O)O)C=C(CC4=CC=CS4)C(=O)O
• Isomeric SMILES: CCCCC1=NC=C(N1CC2=CC=C(C3=CC=CC=C23)C(=O)O)/C=C(\CC4=CC=CS4)/C(=O)O